CID 10725814

Tert-butyl n-(but-3-yn-2-yl)carbamate

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(C#C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11)

InChIKey

AMWSEGBTTPQUKW-UHFFFAOYSA-N

Compound name

tert-butyl N-but-3-yn-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 169.11028 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.11756	141.3
[M+Na]+	192.09950	149.2
[M-H]-	168.10300	141.1
[M+NH4]+	187.14410	159.5
[M+K]+	208.07344	148.9
[M+H-H2O]+	152.10754	130.7
[M+HCOO]-	214.10848	157.0
[M+CH3COO]-	228.12413	190.4
[M+Na-2H]-	190.08495	144.4
[M]+	169.10973	136.9
[M]-	169.11083	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe